2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate

C16H25NO5 — CID 20292

IUPAC2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate
SMILESCCN(CC)CCOC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H25NO5/c1-6-17(7-2)8-9-22-16(18)12-10-13(19-3)15(21-5)14(11-12)20-4/h10-11H,6-9H2,1-5H3
InChIKeyRLJICTMMHSBWSL-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.21
Rot. Bonds9

About 2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate

2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate (PubChem CID 20292) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate
PubChem CID20292
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Name2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate
SMILESCCN(CC)CCOC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H25NO5/c1-6-17(7-2)8-9-22-16(18)12-10-13(19-3)15(21-5)14(11-12)20-4/h10-11H,6-9H2,1-5H3
InChIKeyRLJICTMMHSBWSL-UHFFFAOYSA-N
XLogP2.21
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[tert-butyl(methyl)amino]ethyl 3,4,5-trimethoxybenzoate
CID 132794544
2-(diethylamino)ethyl 3-hydroxy-4-methoxybenzoate;hydrochloride
CID 2853546
iodomethyl 3,4,5-trimethoxybenzoate
CID 19866330
octyl 3,4,5-trimethoxybenzoate
CID 54343365
octadecyl 3,4,5-trimethoxybenzoate
CID 19820326
2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride
CID 138399963
2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride
CID 54609530
diethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride
CID 20291
2-(diethylamino)ethyl 3,4-diethoxybenzoate
CID 23423700
2-(diethylamino)ethyl 4-(butylamino)-3-methoxybenzoate
CID 177300575
4-[ethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]butyl 3,4,5-trimethoxybenzoate
CID 3051523
3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate
CID 2248948

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate?
The IUPAC name of 2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate (CID 20292) is 2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate?
The canonical SMILES for 2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate is CCN(CC)CCOC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate?
The InChIKey is RLJICTMMHSBWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5/c1-6-17(7-2)8-9-22-16(18)12-10-13(19-3)15(21-5)14(11-12)20-4/h10-11H,6-9H2,1-5H3.
What are the key properties of 2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate?
2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate has a molecular weight of 311.38 g/mol, XLogP of 2.21, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 20292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).